
 CHEMBL229697

 22 22  0  0  0  0  0  0  0  0999 V2000
    0.1398    1.0154   -0.0911 C   0  0  0  0  0
   -0.7306   -0.2116   -0.0375 C   0  0  0  0  0
    0.7477   -0.3124    0.2911 C   0  0  0  0  0
    1.7054   -0.9715   -0.6576 C   0  0  0  0  0
    2.6756   -0.4328   -1.1605 O   0  0  0  0  0
    1.4150   -2.2795   -0.8539 O   0  0  0  0  0
    1.1045   -0.5202    1.7128 N   0  0  0  0  0
   -1.3271   -0.7482   -1.3051 C   0  0  0  0  0
   -2.1817   -2.3041   -1.0499 P   0  0  0  0  0
   -2.7195   -2.9534   -2.2777 O   0  0  0  0  0
   -1.1880   -3.2321   -0.2016 O   0  0  0  0  0
   -3.3025   -1.9717    0.0507 O   0  0  0  0  0
    0.3913    1.4372   -1.0578 H   0  0  0  0  0
    0.0052    1.7618    0.6834 H   0  0  0  0  0
   -1.4392   -0.2606    0.7847 H   0  0  0  0  0
    2.1363   -2.5717   -1.4607 H   0  0  0  0  0
    1.9480    0.0106    1.9380 H   0  0  0  0  0
    1.3402   -1.4978    1.8901 H   0  0  0  0  0
   -0.5698   -0.8848   -2.0827 H   0  0  0  0  0
   -2.0509   -0.0228   -1.6938 H   0  0  0  0  0
   -0.2713   -2.8956   -0.1167 H   0  0  0  0  0
   -3.8916   -2.7400    0.1881 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 13  1  0  0  0
  1 14  1  0  0  0
  2  3  1  0  0  0
  2  8  1  0  0  0
  2 15  1  0  0  0
  3  7  1  0  0  0
  3  4  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6 16  1  0  0  0
  7 17  1  0  0  0
  7 18  1  0  0  0
  8  9  1  0  0  0
  8 19  1  0  0  0
  8 20  1  0  0  0
  9 12  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 21  1  0  0  0
 12 22  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL229697

>  <PubChem CID>
16747847

>  <Formula>
C5H10NO5P

>  <Molecular Weight>
195.111000

>  <IUPAC Name>
(1S,2R)-1-amino-2-(phosphonomethyl)cyclopropane-1-carboxylic acid

>  <XlogP>
-5.0

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1C(C1(C(=O)O)N)CP(=O)(O)O

>  <Isomeric SMILES>
C1[C@H]([C@@]1(C(=O)O)N)CP(=O)(O)O

>  <InChI Std. ID>
InChI=1S/C5H10NO5P/c6-5(4(7)8)1-3(5)2-12(9,10)11/h3H,1-2,6H2,(H,7,8)(H2,9,10,11)/t3-,5-/m0/s1

>  <InChI Key>
RACNCOSUCJNQDH-UCORVYFPSA-N

